Information card for entry 4129951

Structure parameters

• Formula: C208 H310 Cu62 F12 Mo12 O62 S4
• Calculated formula: C208 H310 Cu62 F12 Mo12 O62 S4
• Title of publication: Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.
• Authors of publication: Zhang, Li-Min; Mak, Thomas C. W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 9
• Pages of publication: 2909 - 2912
• a: 17.4851 ± 0.0011 Å
• b: 19.3584 ± 0.0011 Å
• c: 45.512 ± 0.003 Å
• α: 90°
• β: 90.54 ± 0.004°
• γ: 90°
• Cell volume: 15404.4 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No